profess.System.add_ions

System.add_ions(filename, coords, unit='frac')

Add ions to the system.

Using the ion potential in filename, add ions to the locations indicated by coords.

Parameters:

filenamestr

Potential file.

coordsarray_like

Ion coordinates in shape Nx3, where N is the number of ions.

unitstr, optional

Length unit for coords. Can be ‘frac’ (the default), indicating fractional coordinates, or a valid length unit, indicating Cartesian coordinates.

Returns:

systemprofess.System